#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k s ALA 2 N 0.00 4.02 0.13 4.61 0.00 -1.26 -5.13 121.76 124.13 2k7k s ALA 2 Ca 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 2k7k s ALA 2 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 2k7k s ALA 2 CO 0.00 0.12 0.22 -1.21 0.00 0.00 0.00 175.76 174.89 2k7k s GLU 3 N -4.04 0.99 0.33 0.00 2.02 -1.26 -5.18 118.70 111.56 2k7k s GLU 3 Ca 0.39 -1.11 0.04 0.00 0.02 0.00 0.00 54.97 54.31 2k7k s GLU 3 Cb -0.09 0.35 0.04 0.00 0.10 0.00 0.00 34.13 34.53 2k7k s GLU 3 CO 0.29 -0.34 0.36 0.41 0.02 0.00 0.00 175.26 176.01 2k7k n GLY 4 N -0.13 2.40 3.14 -1.39 0.00 -1.26 -4.63 105.19 103.31 2k7k n GLY 4 Ca -0.11 -2.22 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 2k7k n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k7k n ASN 5 N -2.27 -4.87 -4.46 1.61 3.02 -1.26 -4.89 115.26 102.15 2k7k n ASN 5 Ca 0.04 -0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 53.86 2k7k n ASN 5 Cb 0.36 -3.98 -0.03 0.00 -0.61 0.00 0.00 39.78 35.52 2k7k n ASN 5 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2k7k s THR 6 N -3.03 4.46 0.16 3.41 2.01 -1.26 -5.00 115.64 116.38 2k7k s THR 6 Ca 0.33 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.15 2k7k s THR 6 Cb -0.16 -4.75 -0.11 0.00 0.01 0.00 0.00 72.50 67.50 2k7k s THR 6 CO 0.40 -1.51 1.78 -0.76 -0.69 0.00 0.00 174.62 173.84 2k7k s LEU 7 N 3.58 4.39 0.49 4.42 2.01 -1.26 -3.71 118.68 128.60 2k7k s LEU 7 Ca 0.28 2.80 0.02 0.00 0.01 0.00 0.00 54.13 57.23 2k7k s LEU 7 Cb -0.11 -3.58 -0.01 0.00 0.01 0.00 0.00 46.19 42.50 2k7k s LEU 7 CO 0.01 -0.99 0.06 0.27 1.01 0.00 0.00 176.35 176.71 2k7k s ILE 8 N 2.08 0.82 0.09 -0.59 -5.25 -1.08 -2.76 121.20 114.52 2k7k s ILE 8 Ca 0.78 -2.00 -0.25 0.00 -0.99 0.00 0.00 60.65 58.19 2k7k s ILE 8 Cb -0.47 -2.13 0.08 0.00 2.95 0.00 0.00 42.46 42.88 2k7k s ILE 8 CO 0.34 0.00 0.67 -0.55 -1.79 0.00 0.00 174.94 173.62 2k7k s SER 9 N -3.80 -0.54 -0.01 4.36 0.15 0.85 -3.13 113.70 111.58 2k7k s SER 9 Ca 0.09 0.12 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 2k7k s SER 9 Cb 0.01 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2k7k s SER 9 CO 0.06 -0.84 0.22 0.54 1.20 0.00 0.00 173.24 174.42 2k7k s VAL 10 N -3.17 0.07 0.59 4.45 0.11 -1.14 -0.57 120.40 120.74 2k7k s VAL 10 Ca -0.00 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.38 2k7k s VAL 10 Cb -0.01 -0.51 0.14 0.00 -1.53 0.00 0.00 36.38 34.47 2k7k s VAL 10 CO -0.08 -0.31 0.75 -0.90 -3.33 0.00 0.00 175.10 171.23 2k7k n ASP 11 N 1.43 -0.22 -3.55 3.54 5.75 -1.26 -2.76 116.55 119.47 2k7k n ASP 11 Ca -0.22 -1.21 -0.15 0.00 -0.01 0.00 0.00 54.79 53.20 2k7k n ASP 11 Cb 0.56 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 2k7k n ASP 11 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2k7k s TYR 12 N -2.61 -0.57 -0.30 2.11 5.04 0.83 -4.52 117.35 117.33 2k7k s TYR 12 Ca 0.44 1.04 -0.07 0.00 -2.44 0.00 0.00 57.07 56.03 2k7k s TYR 12 Cb -0.02 0.41 0.18 0.00 0.35 0.00 0.00 41.96 42.88 2k7k s TYR 12 CO 0.31 -0.49 0.83 -2.00 -1.34 0.00 0.00 175.55 172.85 2k7k s GLU 13 N -0.98 0.38 0.05 4.97 2.12 0.42 -2.04 118.70 123.62 2k7k s GLU 13 Ca -0.07 0.69 -0.00 0.00 0.36 0.00 0.00 54.97 55.96 2k7k s GLU 13 Cb -0.01 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 2k7k s GLU 13 CO 0.06 -0.40 0.20 0.42 -0.54 0.00 0.00 175.26 175.01 2k7k s ILE 14 N 2.89 5.36 0.01 -3.70 -1.09 -1.25 -0.12 121.20 123.30 2k7k s ILE 14 Ca 0.09 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 2k7k s ILE 14 Cb -0.12 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 2k7k s ILE 14 CO -0.16 0.16 -0.09 0.12 -1.23 0.00 0.00 174.94 173.74 2k7k s PHE 15 N -1.48 0.80 0.00 3.97 2.19 -1.23 -4.06 117.98 118.16 2k7k s PHE 15 Ca 0.34 -0.23 0.00 0.00 0.33 0.00 0.00 56.93 57.37 2k7k s PHE 15 Cb -0.13 -0.50 0.00 0.00 -1.31 0.00 0.00 43.02 41.08 2k7k s PHE 15 CO 0.27 -0.01 0.00 0.41 1.83 0.00 0.00 175.22 177.71 2k7k n GLY 16 N 2.47 0.30 2.32 13.12 0.00 -1.26 -2.63 105.19 119.51 2k7k n GLY 16 Ca -0.16 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 2k7k n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k7k n LYS 17 N 0.00 2.25 -0.02 1.61 3.00 -1.24 -4.05 118.16 119.71 2k7k n LYS 17 Ca 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 56.10 2k7k n LYS 17 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 35.03 32.97 2k7k n LYS 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k7k n VAL 18 N 0.56 0.26 -1.33 3.15 0.24 -1.26 -4.01 118.33 115.94 2k7k n VAL 18 Ca 0.44 -0.25 -0.24 0.00 -2.04 0.00 0.00 64.34 62.25 2k7k n VAL 18 Cb 0.55 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 2k7k n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7k n GLN 19 N -2.03 2.25 0.00 7.34 0.00 -1.26 -3.91 117.38 119.77 2k7k n GLN 19 Ca -0.07 -2.17 0.00 0.00 0.00 0.00 0.00 57.00 54.76 2k7k n GLN 19 Cb 0.48 -2.01 0.00 0.00 0.00 0.00 0.00 30.24 28.71 2k7k n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k7k n GLY 20 N 0.67 0.00 3.05 2.61 0.00 -1.26 -4.89 105.19 105.37 2k7k n GLY 20 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 2k7k n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k7k n VAL 21 N 0.00 0.00 -1.36 1.61 0.24 -1.25 -5.05 118.33 112.52 2k7k n VAL 21 Ca 0.00 -1.55 -0.09 0.00 -2.04 0.00 0.00 64.34 60.67 2k7k n VAL 21 Cb 0.00 0.98 0.20 0.00 -1.47 0.00 0.00 33.84 33.55 2k7k n VAL 21 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 2k7k n PHE 22 N -0.52 1.64 -0.03 6.34 -1.74 -1.26 -4.67 117.46 117.22 2k7k n PHE 22 Ca -0.00 -1.61 0.23 0.00 -0.56 0.00 0.00 57.45 55.51 2k7k n PHE 22 Cb 0.53 -0.61 0.72 0.00 1.52 0.00 0.00 39.48 41.64 2k7k n PHE 22 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2k7k h PHE 23 N 1.12 0.00 -0.94 2.97 -0.00 -1.92 -0.03 116.94 118.14 2k7k h PHE 23 Ca 0.32 0.00 0.18 0.00 -0.00 0.00 0.00 57.97 58.47 2k7k h PHE 23 Cb 1.98 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 37.85 2k7k h PHE 23 CO 1.16 0.00 0.60 0.07 -0.00 0.00 0.00 178.31 180.14 2k7k h ARG 24 N 0.00 0.61 -0.43 6.09 -0.00 -1.95 0.25 114.38 118.94 2k7k h ARG 24 Ca 0.29 -0.04 0.13 0.00 -0.00 0.00 0.00 59.98 60.36 2k7k h ARG 24 Cb 1.25 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.97 31.07 2k7k h ARG 24 CO -0.00 0.40 0.33 -0.22 -0.00 0.00 0.00 179.97 180.48 2k7k h LYS 25 N 0.62 0.00 0.00 0.08 1.63 -1.39 0.79 116.57 118.31 2k7k h LYS 25 Ca 0.50 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 60.13 2k7k h LYS 25 Cb 0.94 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 2k7k h LYS 25 CO -0.25 0.00 -1.25 0.45 -3.45 0.00 0.00 179.45 174.95 2k7k h HIS 26 N 0.00 0.00 -0.03 1.91 3.86 -0.69 -3.37 115.15 116.83 2k7k h HIS 26 Ca 0.20 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2k7k h HIS 26 Cb 0.86 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 2k7k h HIS 26 CO 0.00 0.64 -0.13 1.15 0.86 0.00 0.00 177.93 180.45 2k7k h THR 27 N 0.00 0.68 -1.00 2.45 2.02 -0.36 -1.12 112.91 115.57 2k7k h THR 27 Ca -0.14 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.18 2k7k h THR 27 Cb 1.61 0.68 -0.09 0.00 -1.74 0.00 0.00 68.15 68.60 2k7k h THR 27 CO 0.06 0.00 0.63 -0.61 0.37 0.00 0.00 175.52 175.97 2k7k h GLN 28 N -0.20 0.91 -0.57 6.66 -0.00 -1.68 -0.66 115.11 119.57 2k7k h GLN 28 Ca 0.05 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 2k7k h GLN 28 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 2k7k h GLN 28 CO -0.15 0.60 -0.00 0.00 0.00 0.00 0.00 178.83 179.28 2k7k h ALA 29 N 1.56 0.91 -0.27 3.38 0.00 -1.54 -2.52 119.26 120.79 2k7k h ALA 29 Ca 0.51 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2k7k h ALA 29 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k7k h ALA 29 CO -0.28 0.65 0.28 1.49 0.00 0.00 0.00 179.25 181.38 2k7k h GLU 30 N 0.91 0.00 0.00 0.00 4.57 0.11 0.22 114.58 120.40 2k7k h GLU 30 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2k7k h GLU 30 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2k7k h GLU 30 CO 0.03 0.00 0.00 0.78 -1.18 0.00 0.00 179.01 178.64 2k7k h GLY 31 N 0.00 0.00 2.00 1.92 0.00 -1.32 -2.82 103.07 102.85 2k7k h GLY 31 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 2k7k h GLY 31 CO -0.00 0.00 -0.53 1.70 0.00 0.00 0.00 176.54 177.70 2k7k h LYS 32 N 0.00 0.00 0.12 4.80 3.64 -0.67 0.23 116.57 124.68 2k7k h LYS 32 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2k7k h LYS 32 Cb 0.56 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 2k7k h LYS 32 CO 0.00 0.53 -0.47 0.87 -2.27 0.00 0.00 179.45 178.12 2k7k h LYS 33 N 0.00 -0.67 0.02 1.90 6.56 -1.55 -3.29 116.57 119.53 2k7k h LYS 33 Ca -0.01 0.05 -0.37 0.00 -1.06 0.00 0.00 60.65 59.26 2k7k h LYS 33 Cb 1.25 0.15 -0.06 0.00 -0.57 0.00 0.00 32.23 33.01 2k7k h LYS 33 CO 0.07 -0.45 -2.28 1.28 -2.06 0.00 0.00 179.45 176.01 2k7k n LEU 34 N -5.48 1.82 0.00 2.94 4.77 -1.25 -5.03 117.00 114.77 2k7k n LEU 34 Ca -0.08 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2k7k n LEU 34 Cb 0.40 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2k7k n LEU 34 CO 0.17 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2k7k n GLY 35 N 1.99 0.77 1.79 -0.72 0.00 0.71 -5.14 105.19 104.59 2k7k n GLY 35 Ca -0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2k7k n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k7k n LEU 36 N 0.00 0.00 0.00 0.99 4.77 -0.69 -5.01 117.00 117.05 2k7k n LEU 36 Ca 0.00 -1.28 -0.14 0.00 -0.03 0.00 0.00 56.01 54.57 2k7k n LEU 36 Cb 0.00 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2k7k n LEU 36 CO 0.00 -0.48 -0.08 1.33 -1.33 0.00 0.00 177.39 176.83 2k7k n VAL 37 N -1.28 0.00 0.00 4.08 0.24 -1.26 -4.63 118.33 115.48 2k7k n VAL 37 Ca 0.02 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2k7k n VAL 37 Cb 0.29 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2k7k n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7k n GLY 38 N 2.30 1.01 2.84 7.63 0.00 -1.23 -3.52 105.19 114.21 2k7k n GLY 38 Ca -0.08 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2k7k n GLY 38 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k7k n TRP 39 N 1.09 -1.44 -4.04 1.61 2.14 -1.26 -3.29 117.44 112.25 2k7k n TRP 39 Ca 0.00 -1.86 -0.18 0.00 2.07 0.00 0.00 57.50 57.53 2k7k n TRP 39 Cb 0.00 0.51 -0.16 0.00 -0.81 0.00 0.00 31.31 30.86 2k7k n TRP 39 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2k7k s VAL 40 N -2.66 0.32 -0.12 -1.67 1.01 -1.26 -4.33 120.40 111.69 2k7k s VAL 40 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 2k7k s VAL 40 Cb -0.01 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 36.04 2k7k s VAL 40 CO 0.16 0.16 0.06 -1.10 0.00 0.00 0.00 175.10 174.38 2k7k s GLN 41 N 0.80 0.15 -0.05 2.72 -0.21 -1.10 -3.40 119.66 118.56 2k7k s GLN 41 Ca -0.09 0.06 -0.09 0.00 0.02 0.00 0.00 55.36 55.26 2k7k s GLN 41 Cb -0.12 -1.31 -0.05 0.00 1.00 0.00 0.00 33.01 32.53 2k7k s GLN 41 CO -0.01 -0.51 0.25 0.54 -2.12 0.00 0.00 175.29 173.44 2k7k s ASN 42 N 2.10 6.54 0.76 5.90 4.22 -1.26 -0.62 114.94 132.57 2k7k s ASN 42 Ca 0.03 0.63 -0.12 0.00 -2.14 0.00 0.00 52.86 51.27 2k7k s ASN 42 Cb -0.14 -2.13 0.05 0.00 1.28 0.00 0.00 41.25 40.31 2k7k s ASN 42 CO -0.06 0.35 1.12 0.42 -2.04 0.00 0.00 177.10 176.88 2k7k s THR 43 N -1.11 3.00 0.44 0.54 -4.23 -0.50 -4.95 115.64 108.83 2k7k s THR 43 Ca 0.21 0.32 0.11 0.00 -1.18 0.00 0.00 61.69 61.15 2k7k s THR 43 Cb -0.14 -3.25 0.24 0.00 1.34 0.00 0.00 72.50 70.69 2k7k s THR 43 CO 0.10 -0.42 2.06 0.44 -0.54 0.00 0.00 174.62 176.25 2k7k h ASP 44 N -0.88 0.23 -0.12 3.99 3.32 -1.99 -3.42 116.42 117.56 2k7k h ASP 44 Ca -0.46 -0.02 0.21 0.00 0.02 0.00 0.00 57.03 56.79 2k7k h ASP 44 Cb 1.28 -0.06 -0.18 0.00 0.22 0.00 0.00 39.33 40.59 2k7k h ASP 44 CO 0.63 0.23 0.01 -0.60 -1.72 0.00 0.00 179.24 177.78 2k7k s ARG 45 N -5.14 0.08 0.00 3.56 6.06 -1.26 -5.07 118.95 117.18 2k7k s ARG 45 Ca -0.06 0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.20 2k7k s ARG 45 Cb 0.17 0.02 0.00 0.00 0.06 0.00 0.00 34.95 35.20 2k7k s ARG 45 CO 0.71 -0.13 0.00 0.41 -2.50 0.00 0.00 175.30 173.79 2k7k n GLY 46 N 4.51 -1.28 3.83 8.12 0.00 -1.26 -5.16 105.19 113.95 2k7k n GLY 46 Ca 0.08 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 2k7k n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7k s THR 47 N 0.00 0.00 -0.28 2.61 -4.23 -1.26 -4.84 115.64 107.64 2k7k s THR 47 Ca 0.00 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 2k7k s THR 47 Cb 0.00 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.30 2k7k s THR 47 CO 0.00 0.00 0.00 -0.69 -0.54 0.00 0.00 174.62 173.39 2k7k s VAL 48 N -2.78 3.30 0.04 2.29 1.01 -1.26 -1.41 120.40 121.59 2k7k s VAL 48 Ca 0.15 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2k7k s VAL 48 Cb -0.04 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2k7k s VAL 48 CO 0.08 0.09 1.11 0.00 0.00 0.00 0.00 175.10 176.38 2k7k s GLN 49 N 1.38 4.49 0.08 2.72 -2.07 0.20 -3.83 119.66 122.62 2k7k s GLN 49 Ca 0.00 1.63 0.02 0.00 -1.82 0.00 0.00 55.36 55.20 2k7k s GLN 49 Cb -0.17 -3.39 -0.03 0.00 -1.09 0.00 0.00 33.01 28.32 2k7k s GLN 49 CO -0.01 -0.16 -0.08 0.20 -1.32 0.00 0.00 175.29 173.91 2k7k s GLY 50 N 1.00 0.71 -0.24 2.60 0.00 -0.87 -2.73 107.32 107.80 2k7k s GLY 50 Ca 0.56 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.12 2k7k s GLY 50 CO 0.29 -1.20 0.42 1.20 0.00 0.00 0.00 173.10 173.81 2k7k s GLN 51 N -2.82 0.37 0.08 2.90 -0.21 -1.26 -0.12 119.66 118.61 2k7k s GLN 51 Ca 0.03 0.70 -0.01 0.00 0.02 0.00 0.00 55.36 56.10 2k7k s GLN 51 Cb -0.02 -0.18 -0.04 0.00 1.00 0.00 0.00 33.01 33.77 2k7k s GLN 51 CO -0.02 -0.56 0.25 -1.17 -2.12 0.00 0.00 175.29 171.67 2k7k s LEU 52 N 2.60 4.34 0.45 2.90 2.96 -1.11 -4.10 118.68 126.73 2k7k s LEU 52 Ca 0.11 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 2k7k s LEU 52 Cb -0.15 -3.04 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2k7k s LEU 52 CO -0.16 0.14 0.05 -1.10 -1.32 0.00 0.00 176.35 173.96 2k7k s GLN 53 N -2.56 2.04 0.00 1.98 -1.52 -1.23 -2.88 119.66 115.49 2k7k s GLN 53 Ca 0.36 -2.26 0.00 0.00 -1.95 0.00 0.00 55.36 51.51 2k7k s GLN 53 Cb -0.13 -1.17 0.00 0.00 -0.22 0.00 0.00 33.01 31.49 2k7k s GLN 53 CO 0.27 -0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.36 2k7k n GLY 54 N -1.07 3.60 3.77 3.09 0.00 -1.18 -4.33 105.19 109.07 2k7k n GLY 54 Ca -0.12 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 2k7k n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7k s PRO 55 N -2.47 2.60 0.56 1.61 0.04 -1.26 -2.64 135.00 133.45 2k7k s PRO 55 Ca 0.00 1.31 0.38 0.00 0.04 0.00 0.00 61.00 62.72 2k7k s PRO 55 Cb 0.00 -1.93 1.93 0.00 0.04 0.00 0.00 34.50 34.54 2k7k s PRO 55 CO 0.00 -1.40 2.14 0.97 0.04 0.00 0.00 177.00 178.75 2k7k h ILE 56 N -0.40 0.00 -0.70 0.56 2.10 -1.89 0.36 117.51 117.54 2k7k h ILE 56 Ca -0.46 -0.12 -0.30 0.00 1.08 0.00 0.00 64.86 65.07 2k7k h ILE 56 Cb 1.24 1.01 -0.18 0.00 -1.09 0.00 0.00 36.82 37.81 2k7k h ILE 56 CO 0.53 0.00 0.38 -0.24 -1.08 0.00 0.00 178.15 177.74 2k7k n SER 57 N -2.89 3.92 0.00 2.19 2.88 -1.26 -4.12 113.62 114.33 2k7k n SER 57 Ca -0.02 -3.13 0.00 0.00 -1.33 0.00 0.00 58.87 54.39 2k7k n SER 57 Cb 0.12 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2k7k n SER 57 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k7k n LYS 58 N -0.45 0.00 0.26 -1.46 4.81 -0.50 -4.89 118.16 115.93 2k7k n LYS 58 Ca 0.41 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.99 2k7k n LYS 58 Cb 1.32 -0.10 0.84 0.00 0.02 0.00 0.00 35.03 37.11 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2k7k h VAL 59 N 0.00 0.62 -0.09 3.15 2.07 -1.17 -0.86 116.25 119.96 2k7k h VAL 59 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2k7k h VAL 59 Cb 0.00 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2k7k h VAL 59 CO 0.00 0.00 0.10 -0.09 0.02 0.00 0.00 177.57 177.60 2k7k h ARG 60 N 0.00 0.00 0.00 1.57 1.12 -1.80 0.15 114.38 115.42 2k7k h ARG 60 Ca 0.03 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 2k7k h ARG 60 Cb 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 2k7k h ARG 60 CO -0.00 0.00 -0.48 0.45 -3.11 0.00 0.00 179.97 176.83 2k7k h HIS 61 N 0.00 0.00 -0.66 2.20 3.86 -1.52 -3.32 115.15 115.71 2k7k h HIS 61 Ca 0.04 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 2k7k h HIS 61 Cb 0.24 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.64 2k7k h HIS 61 CO 0.00 0.44 0.31 1.98 0.86 0.00 0.00 177.93 181.52 2k7k h MET 62 N -1.00 0.53 -0.38 2.45 1.85 -1.48 0.42 114.93 117.32 2k7k h MET 62 Ca -0.07 -0.03 0.11 0.00 -0.61 0.00 0.00 59.70 59.09 2k7k h MET 62 Cb 0.61 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 2k7k h MET 62 CO -0.05 0.35 0.32 -0.56 -0.40 0.00 0.00 176.91 176.58 2k7k h GLN 63 N 0.55 0.00 -0.73 0.39 3.07 -0.89 0.27 115.11 117.77 2k7k h GLN 63 Ca 0.32 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.77 2k7k h GLN 63 Cb 0.34 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 27.72 2k7k h GLN 63 CO -0.26 0.00 0.32 0.39 0.09 0.00 0.00 178.83 179.37 2k7k n GLU 64 N -4.13 2.91 0.00 0.06 -0.58 0.12 -4.26 120.64 114.76 2k7k n GLU 64 Ca 0.06 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.74 2k7k n GLU 64 Cb 0.50 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2k7k n TRP 65 N -0.65 0.00 0.13 -0.32 -0.00 0.83 -4.63 117.44 112.80 2k7k n TRP 65 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 2k7k n TRP 65 Cb 1.39 0.02 0.29 0.00 -0.00 0.00 0.00 31.31 33.01 2k7k n TRP 65 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2k7k h LEU 66 N 0.00 0.17 -0.20 5.87 3.38 -1.46 0.25 115.31 123.32 2k7k h LEU 66 Ca 0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2k7k h LEU 66 Cb 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2k7k h LEU 66 CO 0.00 0.51 -0.60 1.05 0.09 0.00 0.00 178.44 179.49 2k7k h GLU 67 N 0.15 0.00 0.00 1.13 4.11 -1.81 -3.40 114.58 114.75 2k7k h GLU 67 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2k7k h GLU 67 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2k7k h GLU 67 CO 0.05 0.60 0.00 0.25 0.07 0.00 0.00 179.01 179.98 2k7k n THR 68 N -3.33 0.00 -0.85 -1.06 -2.24 -1.00 -4.93 114.28 100.87 2k7k n THR 68 Ca 0.01 0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.85 2k7k n THR 68 Cb 0.74 -1.26 0.26 0.00 -2.10 0.00 0.00 70.33 67.96 2k7k n THR 68 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k7k s ARG 69 N -0.73 -1.92 0.00 -0.78 1.81 0.83 -4.99 118.95 113.18 2k7k s ARG 69 Ca 0.00 -0.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.96 2k7k s ARG 69 Cb 0.00 -1.51 0.00 0.00 -0.45 0.00 0.00 34.95 32.99 2k7k s ARG 69 CO 0.00 -4.17 0.00 0.41 -0.68 0.00 0.00 175.30 170.86 2k7k n GLY 70 N -0.19 3.01 3.41 -3.53 0.00 -1.26 -4.66 105.19 101.96 2k7k n GLY 70 Ca 0.14 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2k7k n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k7k n SER 71 N 0.00 -2.12 0.24 1.61 7.64 -1.26 -4.88 113.62 114.85 2k7k n SER 71 Ca 0.00 0.30 0.11 0.00 1.01 0.00 0.00 58.87 60.29 2k7k n SER 71 Cb 0.00 -1.19 0.55 0.00 -1.01 0.00 0.00 64.21 62.56 2k7k n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2k7k h PRO 72 N -1.60 0.00 -0.46 1.43 0.13 -2.00 -2.83 132.00 126.68 2k7k h PRO 72 Ca -0.44 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.52 2k7k h PRO 72 Cb 1.29 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.31 2k7k h PRO 72 CO 0.34 0.18 0.09 1.17 -0.23 0.00 0.00 178.00 179.55 2k7k n LYS 73 N -3.41 2.51 -3.61 0.86 3.00 -1.26 -4.76 118.16 111.49 2k7k n LYS 73 Ca -0.00 -3.05 -0.27 0.00 -0.00 0.00 0.00 58.31 54.99 2k7k n LYS 73 Cb 0.37 -1.93 -0.10 0.00 0.00 0.00 0.00 35.03 33.37 2k7k n LYS 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2k7k n SER 74 N -0.79 2.45 -4.58 3.14 3.41 -1.07 -4.56 113.62 111.62 2k7k n SER 74 Ca 0.34 -3.11 -0.42 0.00 -0.26 0.00 0.00 58.87 55.42 2k7k n SER 74 Cb 1.13 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 2k7k n SER 74 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2k7k s HIS 75 N -1.53 2.08 -1.30 7.33 3.76 -1.26 -4.65 115.29 119.72 2k7k s HIS 75 Ca 0.32 0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 55.68 2k7k s HIS 75 Cb 0.05 -4.25 0.01 0.00 1.11 0.00 0.00 32.58 29.50 2k7k s HIS 75 CO -0.12 -2.29 2.08 -0.89 -0.85 0.00 0.00 174.74 172.67 2k7k n ILE 76 N 7.13 3.20 -0.03 0.60 5.41 -1.26 -3.59 119.36 130.82 2k7k n ILE 76 Ca 0.18 -2.93 -0.09 0.00 1.00 0.00 0.00 62.75 60.91 2k7k n ILE 76 Cb 0.49 -2.49 -0.02 0.00 -0.71 0.00 0.00 39.64 36.90 2k7k n ILE 76 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k7k h ASP 77 N 6.77 -0.77 -2.89 4.38 3.32 -1.85 -3.39 116.42 122.00 2k7k h ASP 77 Ca 0.51 0.13 -0.51 0.00 0.02 0.00 0.00 57.03 57.18 2k7k h ASP 77 Cb 0.70 0.35 -0.40 0.00 0.22 0.00 0.00 39.33 40.20 2k7k h ASP 77 CO 1.79 -0.28 -0.77 -0.54 -1.72 0.00 0.00 179.24 177.72 2k7k s LYS 78 N -6.08 0.15 -0.78 3.56 -0.14 -1.25 -5.05 119.74 110.15 2k7k s LYS 78 Ca -0.15 -0.37 -0.26 0.00 -1.36 0.00 0.00 55.97 53.83 2k7k s LYS 78 Cb 0.11 -1.41 0.01 0.00 -1.68 0.00 0.00 37.83 34.86 2k7k s LYS 78 CO 0.67 -0.89 1.55 0.00 -0.76 0.00 0.00 175.35 175.92 2k7k s ALA 79 N 2.11 2.45 -0.11 5.17 0.00 -1.26 -3.58 121.76 126.54 2k7k s ALA 79 Ca 0.06 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 2k7k s ALA 79 Cb -0.16 -4.36 -0.02 0.00 0.00 0.00 0.00 23.12 18.57 2k7k s ALA 79 CO -0.27 -3.71 0.86 1.21 0.00 0.00 0.00 175.76 173.85 2k7k s ASN 80 N 5.67 7.07 0.23 0.00 3.84 0.83 -4.96 114.94 127.63 2k7k s ASN 80 Ca 0.50 1.31 -0.22 0.00 0.21 0.00 0.00 52.86 54.67 2k7k s ASN 80 Cb -0.07 -2.48 0.06 0.00 -0.55 0.00 0.00 41.25 38.20 2k7k s ASN 80 CO 0.09 -0.33 0.91 0.72 -2.79 0.00 0.00 177.10 175.71 2k7k s PHE 81 N 1.69 -0.02 0.34 0.43 -0.12 -1.26 -0.44 117.98 118.60 2k7k s PHE 81 Ca 0.42 -0.41 0.08 0.00 -0.05 0.00 0.00 56.93 56.97 2k7k s PHE 81 Cb -0.18 0.71 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 2k7k s PHE 81 CO 0.17 -1.08 0.11 -0.80 -0.05 0.00 0.00 175.22 173.57 2k7k s ASN 82 N -3.11 4.52 0.00 1.98 -0.87 -1.26 -5.05 114.94 111.16 2k7k s ASN 82 Ca 0.16 -0.85 0.00 0.00 -1.57 0.00 0.00 52.86 50.59 2k7k s ASN 82 Cb -0.03 -0.66 0.00 0.00 -0.02 0.00 0.00 41.25 40.54 2k7k s ASN 82 CO 0.06 -0.29 0.90 0.59 -2.57 0.00 0.00 177.10 175.79 2k7k n ASN 83 N -1.10 0.00 -3.56 -1.22 3.02 -1.26 -4.77 115.26 106.37 2k7k n ASN 83 Ca -0.03 0.90 0.04 0.00 -0.03 0.00 0.00 54.58 55.46 2k7k n ASN 83 Cb 0.62 -0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2k7k n ASN 83 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k7k s GLU 84 N -2.61 0.06 -0.02 3.52 2.12 -1.26 -4.97 118.70 115.54 2k7k s GLU 84 Ca 0.00 -0.03 -0.15 0.00 0.36 0.00 0.00 54.97 55.15 2k7k s GLU 84 Cb 0.00 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.43 2k7k s GLU 84 CO 0.00 -0.03 0.31 0.21 -0.54 0.00 0.00 175.26 175.21 2k7k s LYS 85 N -2.06 0.66 -0.10 4.30 2.47 0.27 -4.99 119.74 120.28 2k7k s LYS 85 Ca 0.15 -0.18 -0.01 0.00 -1.56 0.00 0.00 55.97 54.37 2k7k s LYS 85 Cb 0.07 0.29 -0.03 0.00 -1.46 0.00 0.00 37.83 36.71 2k7k s LYS 85 CO -0.07 -0.18 -0.05 0.54 0.16 0.00 0.00 175.35 175.76 2k7k s VAL 86 N -1.29 3.83 0.30 4.02 0.11 -1.26 -0.11 120.40 126.01 2k7k s VAL 86 Ca -0.13 -0.41 0.04 0.00 -2.93 0.00 0.00 61.98 58.55 2k7k s VAL 86 Cb -0.05 -2.61 -0.02 0.00 -1.53 0.00 0.00 36.38 32.17 2k7k s VAL 86 CO 0.04 0.56 0.16 2.30 -3.33 0.00 0.00 175.10 174.83 2k7k n ILE 87 N 2.72 0.00 0.01 7.04 -0.00 -1.11 -4.96 119.36 123.06 2k7k n ILE 87 Ca -0.18 -1.92 -0.18 0.00 -0.00 0.00 0.00 62.75 60.47 2k7k n ILE 87 Cb 0.53 0.79 -0.11 0.00 -0.00 0.00 0.00 39.64 40.84 2k7k n ILE 87 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2k7k h LEU 88 N 0.00 0.62 -7.58 7.28 3.38 -2.00 -3.42 115.31 113.60 2k7k h LEU 88 Ca -0.23 -0.76 0.29 0.00 0.09 0.00 0.00 57.88 57.27 2k7k h LEU 88 Cb 0.97 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 2k7k h LEU 88 CO 0.36 1.30 0.77 -1.59 0.09 0.00 0.00 178.44 179.37 2k7k s LYS 89 N -3.21 0.63 1.03 1.13 -2.85 -1.26 -4.82 119.74 110.39 2k7k s LYS 89 Ca -0.12 -0.38 -0.14 0.00 -1.00 0.00 0.00 55.97 54.33 2k7k s LYS 89 Cb 0.04 0.20 0.11 0.00 -2.06 0.00 0.00 37.83 36.12 2k7k s LYS 89 CO 0.85 -0.29 0.49 1.28 0.10 0.00 0.00 175.35 177.78 2k7k n LEU 90 N -0.63 -0.48 -0.01 2.77 4.77 -1.26 -4.97 117.00 117.19 2k7k n LEU 90 Ca -0.04 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2k7k n LEU 90 Cb 0.61 -1.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 2k7k n LEU 90 CO 0.14 -3.20 -0.59 -0.67 -1.33 0.00 0.00 177.39 171.74 2k7k n ASP 91 N -2.43 4.09 -0.13 -1.43 2.03 -1.26 -4.79 116.55 112.63 2k7k n ASP 91 Ca 0.05 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.10 2k7k n ASP 91 Cb 0.56 0.80 -0.11 0.00 -0.72 0.00 0.00 41.12 41.66 2k7k n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k7k n TYR 92 N -1.96 0.22 -2.06 -0.67 4.19 -1.26 -4.99 117.16 110.63 2k7k n TYR 92 Ca -0.04 0.08 -0.18 0.00 3.31 0.00 0.00 57.90 61.07 2k7k n TYR 92 Cb 0.44 -1.02 -0.03 0.00 0.49 0.00 0.00 39.34 39.21 2k7k n TYR 92 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 2k7k n SER 93 N -4.10 -5.22 -3.61 2.98 7.64 -1.26 -4.93 113.62 105.11 2k7k n SER 93 Ca -0.49 0.14 -0.04 0.00 1.01 0.00 0.00 58.87 59.49 2k7k n SER 93 Cb 0.88 -4.30 -0.03 0.00 -1.01 0.00 0.00 64.21 59.75 2k7k n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7k s ASP 94 N -2.40 -0.12 -0.18 6.43 2.15 -1.26 -5.08 116.67 116.21 2k7k s ASP 94 Ca 0.00 0.05 -0.09 0.00 0.43 0.00 0.00 52.55 52.95 2k7k s ASP 94 Cb 0.00 0.11 -0.05 0.00 -0.30 0.00 0.00 42.92 42.68 2k7k s ASP 94 CO 0.00 -0.16 0.12 0.72 -0.17 0.00 0.00 175.17 175.68 2k7k s PHE 95 N -1.82 3.40 0.14 -5.34 -0.12 -1.26 -3.51 117.98 109.47 2k7k s PHE 95 Ca 0.08 0.30 -0.25 0.00 -0.05 0.00 0.00 56.93 57.02 2k7k s PHE 95 Cb -0.01 -2.11 0.07 0.00 -0.63 0.00 0.00 43.02 40.34 2k7k s PHE 95 CO -0.05 0.33 0.89 -0.65 -0.05 0.00 0.00 175.22 175.69 2k7k s GLN 96 N 0.15 1.21 -0.03 1.99 -0.21 -1.21 -5.01 119.66 116.55 2k7k s GLN 96 Ca 0.08 -0.62 0.07 0.00 0.02 0.00 0.00 55.36 54.91 2k7k s GLN 96 Cb -0.11 0.44 -0.02 0.00 1.00 0.00 0.00 33.01 34.32 2k7k s GLN 96 CO -0.01 -0.55 -0.24 0.42 -2.12 0.00 0.00 175.29 172.79 2k7k s ILE 97 N -3.37 2.19 -0.27 1.08 1.01 -1.26 -4.17 121.20 116.41 2k7k s ILE 97 Ca 0.10 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 2k7k s ILE 97 Cb -0.02 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2k7k s ILE 97 CO -0.00 0.58 0.16 -0.69 0.00 0.00 0.00 174.94 174.99 2k7k s VAL 98 N -0.59 5.11 -2.01 2.92 1.01 -1.22 -4.95 120.40 120.68 2k7k s VAL 98 Ca 0.09 0.10 0.32 0.00 0.00 0.00 0.00 61.98 62.49 2k7k s VAL 98 Cb -0.10 -3.42 0.91 0.00 0.00 0.00 0.00 36.38 33.76 2k7k s VAL 98 CO -0.00 0.28 2.22 0.29 0.00 0.00 0.00 175.10 177.88